3-chloro-N-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]amino]benzamide
Formula:C21H17N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]amino]benzamide |
| MolecularFormula | C21H17N2O2Cl |
| Smiles | O[C@H](/C(/c1ccccc1)=N/NC(c1cccc(Cl)c1)=O)c1ccccc1 |
| InChI | InChI=1S/C21H17ClN2O2/c22-18-13-7-12-17(14-18)21(26)24-23-19(15-8-3-1-4-9-15)20(25)16-10-5-2-6-11-16/h1-14,20,25H,(H,24,26)/t20-/m0/s1 |
| InChIK | AZBKACDPABBQTC-FQEVSTJZSA-N |
| TotalMolweight | 364.831 |
| Molweight | 364.831 |
| MonoisotopicMass | 364.097855 |
| CLogP | 4.1173 |
| CLogS | -5.404 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 279.23 |
| Relative PSA | 0.17588 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - 3-chloro-N-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]amino]benzamide | 2 - 3-chloro-N-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]amino]benzamide
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